Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1689694

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1689694
Phase Preclinical
Structure Type MOL
InChI Key KEOKIKNGKDOHGH-CTWPCTMYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
2.41
ALogP
6
HBA
6
HBD
196.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H43N3O8
MW 501.62
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.40

Activity Summary

EC50 1 meas. best 10.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleotide-binding oligomerization domain-containing protein 1
CHEMBL1293222
 EC50 10.57 10.57 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nucleotide-binding oligomerization domain-containing protein 1 EC50 = 0.027 nM 10.57 Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NF-k... 21299227

Literature References

PubMed DOI Target Context # Activities
21299227 10.1021/jm101535e Molecular identity unknown 2
21299227 10.1021/jm101535e Nucleotide-binding oligomerization domain-containing protein 1 1
28829599 10.1021/acs.jmedchem.7b00593 Nucleotide-binding oligomerization domain-containing protein 1 1

Data from ChEMBL 36 via Core Engine